| CAS Number | 1083401-28-8 |
| Catalog Number | AG01DUYF |
| Chemical Name | 4-methyl-1,2-thiazole-3-carbaldehyde |
| IUPAC Name | 4-methyl-1,2-thiazole-3-carbaldehyde |
| InChI | InChI=1S/C5H5NOS/c1-4-3-8-6-5(4)2-7/h2-3H,1H3 |
| InChI Key | ZAJXPADCCFOMLN-UHFFFAOYSA-N |
| MDL Number | MFCD10700237 |
| Molecular Formula | C5H5NOS |
| Molecular Weight | 127.1643 |
| SMILES | CC1C(C=O)=NSC=1 |
| Synonyms | 3-ISOTHIAZOLECARBOXALDEHYDE, 4-METHYL-,
1083401-28-8,
AKOS006305605,
4-methyl-1,2-thiazole-3-carbaldehyde,
|
| Complexity | 96.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.161g/mol |
| Monoisotopic Mass | 127.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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